1-(4-azanylbutyl)-3-[2-[2,4-bis(chloranyl)-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-oxidanylidene-ethyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(4-azanylbutyl)-3-[2-[2,4-bis(chloranyl)-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-oxidanylidene-ethyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(4-aminobutyl)-3-[2-[2,4-dichloro-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-oxo-ethyl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-(4-aminobutyl)-3-[2-[2,4-dichloro-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-oxoethyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(4-aminobutyl)-3-[2-[2,4-dichloro-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-oxoethyl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-(4-aminobutyl)-3-[2-[2,4-dichloro-3-[(1,2-dimethyl-3,4-dihydro-2H-quinolin-8-yl)oxy-(methylamino)methyl]phenyl]-2-keto-ethyl]urea; 2,2,2-trifluoroacetic acid Formula: C30H37Cl2F6N5O7 MolecularWeight: 764.540499

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C)C(=CC=C2)OC(C3=C(C=CC(=C3Cl)C(=O)CNC(=O)NCCCCN)Cl)NC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1CCC2=C(N1C)C(=CC=C2)OC(C3=C(C=CC(=C3Cl)C(=O)CNC(=O)NCCCCN)Cl)NC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H35Cl2N5O3.2C2HF3O2/c1-16-9-10-17-7-6-8-21(24(17)33(16)3)36-25(30-2)22-19(27)12-11-18(23(22)28)20(34)15-32-26(35)31-14-5-4-13-29;2*3-2(4,5)1(6)7/h6-8,11-12,16,25,30H,4-5,9-10,13-15,29H2,1-3H3,(H2,31,32,35);2*(H,6,7)